7-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H19N5O4S3 MolecularWeight: 489.59096

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)NC1=O

InChI

InChI=1S/C20H19N5O4S3/c26-18-6-11-30-16-5-4-13(12-15(16)21-18)20(27)24-7-9-25(10-8-24)32(28,29)17-3-1-2-14-19(17)23-31-22-14/h1-5,12H,6-11H2,(H,21,26)